SCHEMBL13520199

SCHEMBL13520199

CCCN(C)C[C@H](C)[C@@H](C)[C@@H](C)[C@H](C)CO

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.32
TSHR P16473 1/20 0.31
PIK3CD O00329 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13519648 0.83 ALDH1A1 (0.39) TSHRPIK3CD
SCHEMBL24399498 0.79 PIK3CD (0.36) GGPS1PIK3CD
SCHEMBL10283826 0.73 KCNA5 (0.38) GGPS1
SCHEMBL13295125 0.72
SCHEMBL23733349 0.72 PIK3CD (0.34) GGPS1PIK3CD
SCHEMBL15830520 0.72
SCHEMBL21078046 0.71 ALDH1A1 (0.43) GGPS1
SCHEMBL2973925 0.71
SCHEMBL21922963 0.70 PIK3CD (0.33) GGPS1PIK3CD
SCHEMBL11015298 0.69

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642245-B2 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2010-01-05 US disclosed
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2007-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif AADAC, MRPL21, HDAC6 GGPS1 1510/4885TSHR 1985/4885PIK3CD 4277/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.